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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4r,5r,6r)-5-acetamido-3,6-dihydroxy-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4r,5r,6r)-5-acetamido-3,6-dihydroxy-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4r,5r,6r)-5-acetamido-3,6-dihydroxy-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Preferred term

(2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4r,5r,6r)-5-acetamido-3,6-dihydroxy-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C25H42N2O22S

inchi

  • InChI=1S/C25H42N2O22S/c1-7(29)26-13-9(31)3-25(24(39)40,49-21(13)15(33)10(32)4-28)44-5-11-17(35)20(14(22(38)46-11)27-8(2)30)48-23-19(37)18(36)16(34)12(47-23)6-45-50(41,42)43/h9-23,28,31-38H,3-6H2,1-2H3,(H,26,29)(H,27,30)(H,39,40)(H,41,42,43)/t9-,10+,11+,12+,13+,14+,15+,16-,17-,18-,19+,20+,21+,22+,23-,25+/m0/s1

inchikey

  • XWHPNKBMDJVMNP-BGOQZGJISA-N

mass

  • 754.660

monoisotopicmass

  • 754.19499

smiles

  • S(OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@H](O[C@@H](O)[C@@H]2NC(=O)C)CO[C@]3(O[C@H]([C@H](NC(=O)C)[C@@H](O)C3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@@H](O)[C@H]1O)(O)(=O)=O

subset

  • 2_STAR

synonym RELATED

  • 6-O-sulfo-beta-D-galacto-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-beta-D-galacto-hexopyranose
  • Gal6S(b1-3)[NeuAc(a2-6)]b-GalNAc
  • WURCS=2.0/3,3,2/[a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_6*OSO/3=O/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a3-b1_a6-c2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:157006

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